✦ LIBER ✦

S1 potential energy surface of HONO: Absorption spectrum and photodissociation

✍ Scribed by H.U. Suter; J.Robert Huber

Publisher: Elsevier Science
Year: 1989
Tongue: English
Weight: 593 KB
Volume: 155
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(89)85350-3

No coin nor oath required. For personal study only.

✦ Synopsis

The molecular geometry of cis-and tram-HONO in the So and S, states as well as the S, (na*) +S, transition energy were calculated by ab initio methods (CI, MCSCF). Together with S,-potential energy surface calculations in three dimensions

📜 SIMILAR VOLUMES

Photodissociation of methylnitrite: an m

Photodissociation of methylnitrite: an mc scf calculation of the S1 potential surface

✍ M. Nonella; J.Robert Huber 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 375 KB

Using the MC SCF method, the S1 potential-energy surface of cis-methylnitrite has been calculated to be dissociative, giving rise to the process CH30NO+ CHsO' + NO. Features of this surface are discussed in the light of recent experimental findings.

Some properties of the potential energy

Some properties of the potential energy surface and vibrational spectrum of a strong hydrogen bond complex

✍ G.V. Yukhnevich; E.G. Tarakanova 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 737 KB

CEPA calculations of potential energy su

CEPA calculations of potential energy surfaces for open-shell systems.: IV. Photodissociation of H2O in the A1B1 state

✍ Volker Staemmler; Amadeo Palma 📂 Article 📅 1985 🏛 Elsevier Science 🌐 English ⚖ 842 KB

Lowest Singlet and Triplet Potential Ene

Lowest Singlet and Triplet Potential Energy Surfaces of S2N2.

✍ Robert C. Mawhinney; John D. Goddard 📂 Article 📅 2003 🏛 John Wiley and Sons ⚖ 53 KB

## Abstract For Abstract see ChemInform Abstract in Full Text.

The potential energy surface of the Na(3

The potential energy surface of the Na(32S12)+HF(X1Σ+) reaction

✍ Antonio Laganà; Maria L. Hernandez Hernandez; Jose M. Alvariño; Leonardo Castro; 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 578 KB

The potential energy surface for the ground state Na+HF reaction has been computed at an ab initio level and represented using a polynomial in the bond order coordinates. The accuracy of the surface is discussed by comparing the results of quasiclassical dynamical calculations with experimental info

C 1s ionisation potential and energy ref

C 1s ionisation potential and energy referencing for solid C60 films on metal surfaces

✍ A.J. Maxwell; P.A. Brühwiler; D. Arvanitis; J. Hasselström; N. Mårtensson 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 514 KB

We present a measurement of the C ls ionisation potential (IP) for solid C60, as well as a reliable determination of the highest occupied molecular orbital (HOMO) IP. The difference between the gas phase and solid state measurements for the HOMO agrees well with theory. We discuss these results with